Mixture of 1-Undecanol + Pentanoic acid + Water

Name: 1-Undecanol
InChI: InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3
InChI Key: KJIOQYGWTQBHNH-UHFFFAOYSA-N
Formula: C11H24O
SMILES: CCCCCCCCCCCO
Mol. Weight (g/mol): 172.31
CAS: 112-42-5

Name: Pentanoic acid
InChI: InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
InChI Key: NQPDZGIKBAWPEJ-UHFFFAOYSA-N
Formula: C5H10O2
SMILES: CCCCC(=O)O
Mol. Weight (g/mol): 102.13
CAS: 109-52-4

Name: Water
InChI: InChI=1S/H2O/h1H2
InChI Key: XLYOFNOQVPJJNP-UHFFFAOYSA-N
Formula: H2O
SMILES: O
Mol. Weight (g/mol): 18.02
CAS: 7732-18-5

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Datasets

Mole fraction (4)

Mole fraction [ref]

Operational conditions:

Pressure, kPa = 101 (Liquid mixture 2)
Temperature, K = 298.15 (Liquid mixture 2)

Fixed	Measured
Mole fraction of 1-Undecanol (1) - Liquid mixture 2	Mole fraction of Pentanoic acid (2) - Liquid mixture 2	Mole fraction of 1-Undecanol (1) - Liquid mixture 1	Mole fraction of Pentanoic acid (2) - Liquid mixture 1
0.5676	0.1557	0.0001	0.0023
0.3990	0.3072	0.0001	0.0031
0.2836	0.3989	0.0001	0.0040
0.2059	0.4530	0.0001	0.0047
0.1277	0.4923	0.0002	0.0056
0.0912	0.5052	0.0002	0.0060
0.0486	0.5138	0.0002	0.0065
0.0175	0.5048	0.0002	0.0076

Mole fraction of 1-Undecanol (1) [ref]

Operational conditions:

Pressure, kPa = 101 (Liquid mixture 1)
Temperature, K = 298.15 (Liquid mixture 1)

Mole fraction of Pentanoic acid (2) - Liquid mixture 1	Mole fraction of 1-Undecanol (1) - Liquid mixture 1
0.0000	0.0001
0.0001	0.7733
0.0649	0.6729
0.0793	0.0001
0.1840	0.0001
0.1898	0.5199
0.2846	0.4173
0.3482	0.0031
0.3572	0.3357
0.4123	0.2574
0.4600	0.1965
0.5061	0.0871
0.5070	0.0170
0.5136	0.0463

Mole fraction [ref]

Operational conditions:

Pressure, kPa = 101 (Liquid mixture 2)
Temperature, K = 298.15 (Liquid mixture 2)

Fixed	Measured
Mole fraction of 1-Undecanol (1) - Liquid mixture 2	Mole fraction of Pentanoic acid (2) - Liquid mixture 2	Mole fraction of 1-Undecanol (1) - Liquid mixture 1	Mole fraction of Pentanoic acid (2) - Liquid mixture 1
0.5676	0.1557	0.0001	0.0023
0.3990	0.3072	0.0001	0.0031
0.2836	0.3989	0.0001	0.0040
0.2059	0.4530	0.0001	0.0047
0.1277	0.4923	0.0002	0.0056
0.0912	0.5052	0.0002	0.0060
0.0486	0.5138	0.0002	0.0065
0.0175	0.5048	0.0002	0.0076

Mole fraction of 1-Undecanol (1) [ref]

Operational conditions:

Pressure, kPa = 101 (Liquid mixture 1)
Temperature, K = 298.15 (Liquid mixture 1)

Mole fraction of Pentanoic acid (2) - Liquid mixture 1	Mole fraction of 1-Undecanol (1) - Liquid mixture 1
0.0000	0.0001
0.0001	0.7733
0.0649	0.6729
0.0793	0.0001
0.1840	0.0001
0.1898	0.5199
0.2846	0.4173
0.3482	0.0031
0.3572	0.3357
0.4123	0.2574
0.4600	0.1965
0.5061	0.0871
0.5070	0.0170
0.5136	0.0463

Sources

Ternary liquid-liquid phase equilibria of (water-carboxylic acid-1-undecanol) systems at 298.15 K